3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide

C23H26N2O4 — CID 664731

IUPAC3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1
InChIInChI=1S/C23H26N2O4/c1-14(2)25(23(27)17-10-19(28-4)12-20(11-17)29-5)13-18-9-16-8-15(3)6-7-21(16)24-22(18)26/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyQJAQKHGGKNHOGD-UHFFFAOYSA-N
MW394.47 g/mol
LogP3.90
Rot. Bonds6

About 3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide

3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide (PubChem CID 664731) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
PubChem CID664731
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide
SMILESCOc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1
InChIInChI=1S/C23H26N2O4/c1-14(2)25(23(27)17-10-19(28-4)12-20(11-17)29-5)13-18-9-16-8-15(3)6-7-21(16)24-22(18)26/h6-12,14H,13H2,1-5H3,(H,24,26)
InChIKeyQJAQKHGGKNHOGD-UHFFFAOYSA-N
XLogP3.90
TPSA71.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide?
The IUPAC name of 3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide (CID 664731) is 3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide is COc1cc(OC)cc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)C(C)C)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide?
The InChIKey is QJAQKHGGKNHOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-14(2)25(23(27)17-10-19(28-4)12-20(11-17)29-5)13-18-9-16-8-15(3)6-7-21(16)24-22(18)26/h6-12,14H,13H2,1-5H3,(H,24,26).
What are the key properties of 3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide?
3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide has a molecular weight of 394.47 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 664731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).